UCSF

ZINC00015250

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 21 Yes

Popular Name: 5-[(4-ethoxyphenyl)carbamoyl]pyridine-2-carboxylic 5-[(4-ethoxyphenyl)carbamoyl]pyr…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 -0.93 -52.27 1 6 -1 91 285.279 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P4HTM-1-E Hypoxia-inducible Factor Prolyl 4-hydroxylase (cluster #1 Of 1), Eukaryotic Eukaryotes 5000 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P4HTM_HUMAN Q9NXG6 Hypoxia-inducible Factor Prolyl 4-hydroxylase, Human 5000 0.35 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.